BDBM50248950 CHEMBL4070814

SMILES: CN(C)C(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1

InChI Key: InChIKey=GBFFPSIMMINPGQ-FLWNBWAVSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50248950   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248950 (CHEMBL4070814) Show SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C32H36N6O3/c1-35(2)32(41)23-10-15-27-26(20-23)29(31(40)34-27)30(22-8-6-5-7-9-22)33-24-11-13-25(14-12-24)37(4)28(39)21-38-18-16-36(3)17-19-38/h5-15,20,33H,16-19,21H2,1-4H3,(H,34,40)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...				Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF
					More data for this Ligand-Target Pair
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM50248950 (CHEMBL4070814) Show SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C(/Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C32H36N6O3/c1-35(2)32(41)23-10-15-27-26(20-23)29(31(40)34-27)30(22-8-6-5-7-9-22)33-24-11-13-25(14-12-24)37(4)28(39)21-38-18-16-36(3)17-19-38/h5-15,20,33H,16-19,21H2,1-4H3,(H,34,40)/b30-29-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
The University of Texas at Austin Curated by ChEMBL					Assay Description Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...				Bioorg Med Chem 25: 2609-2616 (2017) Article DOI: 10.1016/j.bmc.2017.03.018 BindingDB Entry DOI: 10.7270/Q2833VFF
					More data for this Ligand-Target Pair